Lecture: Introduction to QM/MM - Second part

Overview

Teaching: 30 min
Exercises: 0 min
Questions
  • Which are the different QM/MM coupling schemes

  • What is the electrostatic embedding?

  • What is the electron spill-out phenomenon?

  • How are treated the QM-MM long-range interactions in CP2K?

Objectives
  • Introduction to the different QM/MM coupling schemes and focus on the one implemented in CP2K

Video, slides and notes

This lecture is being provided as a pre-recorded presentation

The slides of the lecture can be found here.
The notes with the audio transcription of the lecture are available here.

Key Points